SCHEMBL795652

SCHEMBL795652

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(NC4CCOC4)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
GABRA5 P31644 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SYK P43405 1/20 0.32
BRAF P15056 2/20 0.32
PIK3R1 P27986 1/20 0.32
IGF1R P08069 1/20 0.31
PIK3CA P42336 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
MAPK1 P28482 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL795965 0.83 ALOX5AP (0.36) ALOX5APHDAC6
SCHEMBL794759 0.82 PIK3CA (0.40) GABRA5BRAFPIK3R1PIK3CA
SCHEMBL797181 0.81 ALOX5AP (0.44) ALOX5APHDAC6HDAC1
SCHEMBL795020 0.80 ADORA2A (0.38) ADORA3ADORA2AADORA2BADORA1GABRA5
SCHEMBL795632 0.80 PIK3CA (0.45) ALOX5APGABRA5HDAC6SYKBRAF
SCHEMBL796337 0.79 MAPK14 (0.37) HDAC6HDAC1HDAC8
SCHEMBL797145 0.79 TP53 (0.36) ALOX5AP
SCHEMBL796391 0.78 DHFR (0.38) ALOX5APADORA3
SCHEMBL796233 0.78 NPC1 (0.39) GABRA5HDAC6
SCHEMBL794771 0.78 HDAC4 (0.40) ALOX5APHDAC6HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885ADORA3 241/4885ADORA2A 244/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885ADORA3 241/4885ADORA2A 244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.